N-(7-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide

C17H15NO4S — CID 16738585

IUPACN-(7-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3ccc(O)cc23)cc1
InChIInChI=1S/C17H15NO4S/c1-22-14-7-9-15(10-8-14)23(20,21)18-17-4-2-3-12-5-6-13(19)11-16(12)17/h2-11,18-19H,1H3
InChIKeyWPVVYMNXZXOWIY-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.35
Rot. Bonds4

About N-(7-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide

N-(7-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide (PubChem CID 16738585) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(7-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(7-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide
PubChem CID16738585
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC NameN-(7-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3ccc(O)cc23)cc1
InChIInChI=1S/C17H15NO4S/c1-22-14-7-9-15(10-8-14)23(20,21)18-17-4-2-3-12-5-6-13(19)11-16(12)17/h2-11,18-19H,1H3
InChIKeyWPVVYMNXZXOWIY-UHFFFAOYSA-N
XLogP3.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(7-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide (CID 16738585) is N-(7-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(7-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(7-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc3ccc(O)cc23)cc1.
What is the InChIKey of N-(7-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide?
The InChIKey is WPVVYMNXZXOWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-22-14-7-9-15(10-8-14)23(20,21)18-17-4-2-3-12-5-6-13(19)11-16(12)17/h2-11,18-19H,1H3.
What are the key properties of N-(7-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide?
N-(7-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 16738585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).